3-[[6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[6-[2,2-dimethylpropyl(methyl)amino]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: N,4-dimethyl-3-[[6-[methyl(neopentyl)amino]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]benzamide Formula: C20H28N6O3S MolecularWeight: 432.53972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)SC)N(C)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)SC)N(C)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O3S/c1-12-8-9-13(18(27)21-5)10-14(12)22-16-15(26(28)29)17(24-19(23-16)30-7)25(6)11-20(2,3)4/h8-10H,11H2,1-7H3,(H,21,27)(H,22,23,24)